iterations/neb0_image05_iter126.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470901614898 0.22758893508 0.487934444015} O1 1 1
14 {} {0.33085196454 0.224034048653 0.570712600409} Si1 2 1
14 {} {0.592970076157 0.333344233185 0.449254331845} Si2 3 1
8 {} {0.535947571861 0.485058025768 0.435077860536} O2 4 1
8 {} {0.321242163794 0.358470308123 0.666985530357} O3 5 1
14 {} {0.282327597562 0.515535818127 0.678499713283} Si3 6 1
14 {} {0.511610927305 0.651945389518 0.429452599007} Si4 7 1
1 {} {0.329933550545 0.105761662118 0.660776781718} H1 8 1
1 {} {0.213874691605 0.22348341622 0.477815986933} H2 9 1
1 {} {0.650810215343 0.278113564267 0.323334801505} H3 10 1
1 {} {0.696473473871 0.328419006847 0.557268422745} H4 11 1
1 {} {0.136545652875 0.532946564353 0.693226415946} H5 12 1
1 {} {0.361039952835 0.578870993175 0.786610332882} H6 13 1
1 {} {0.417410999122 0.774306619254 0.448257043064} H7 14 1
1 {} {0.522707418778 0.672809000253 0.281630777066} H8 15 1
1 {} {0.616545589176 0.696649518335 0.523356277337} H10 16 1
8 {} {0.321735652408 0.59516594704 0.534177478691} O 17 1
1 {} {0.297156950784 0.690014867035 0.526686608428} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end